E534-0234 Screening compound: 2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

E534-0234 Screening compound: 2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
E534-0234 Screening compound: 2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound E534-0234
2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E534-0234

Molecular Formula

C17H21NS (C17 H21 NS)

Compound Name

2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[(4-ethyl-5-methylthiophen-3-yl)methyl]-1234-tetrahydroisoquinoline

SMILES

CCc1c(C)scc1CN(CC1)Cc2c1cccc2

InChI

InChI=1S/C17H21NS/c1-3-17-13(2)19-12-16(17)11-18-9-8-14-6-4-5-7-15(14)10-18/h4-7,12H,3,8-11H2,1-2H3

InChI Key

FCPUPIZQLBSKBF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14896314

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.43

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.636

Distribution Coefficient, logD

2.873

Water Solubility, LogSw

-4.29

Polar Surface Area

4.651

Acid Dissociation Constant (pKa)

25.50

Base Dissociation Constant (pKb)

9.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

E534-0234 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E534-0234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E534-0234?
Check Price and Availability of E534-0234, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E534-0234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E534-0234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E534-0234
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of E534-0234 available by request